Numerical minimisation of Gutzwiller energy functionals

2011/11/30 by Jörg Bünemann, Florian Gebhard, Tobias Schickling +2 · 18 citations
Mathematics · Physics and Astronomy · #Applied mathematics #Computer science #Hubbard model #Mathematics #Minimisation (clinical trials) #Nonlinear Waves and Solitons #Numerical methods for differential equations #Physics #Physics of Superconductivity and Magnetism #Quantum mechanics #Statistical physics #Wave function #cond-mat.str-el

paper · pdf · doi:10.1002/pssb.201147585

published in physica status solidi (b) 249(6), 1282-1291 (Wiley) · 10 pages

arxiv created 2012/02/12 · openalex publication_date 2012/02/24 · arxiv updated 2015/06/03 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05

Abstract

Abstract We give a comprehensive introduction into an efficient numerical scheme for the minimisation of Gutzwiller energy functionals for multi‐band Hubbard models. Our method covers all conceivable cases of Gutzwiller variational wave functions and has been used successfully in previous numerical studies.

Citations

• Properties of Gutzwiller wave functions for multiband models
• Dynamical behavior across the Mott transition of two bands with different bandwidths
• Fast impurity solver based on Gutzwiller variational approach
• Pseudogap opening and formation of Fermi arcs as an orbital-selective Mott transition in momentum space
• Correlation Effects on the Doped Triangular Lattice in View of the Physics of Sodium-RichNaxCoO2
• Atomic correlations in itinerant ferromagnets: Quasi-particle bands of nickel
• Spin-Orbit Coupling in Ferromagnetic Nickel